TL;DR: Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((1-oxohexadecyl)amino)-1-(((1-oxohexadecyl)amino)methyl)ethyl ester, (+-)- (CAS 147879-82-1) is a chemical compound with molecular formula C49H85N3O6S and molecular weight 843.6159 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(hexadecanoylamino)propan-2-yl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
Also Known As: Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((1-oxohexadecyl)amino)-1-(((1-oxohexadecyl)amino)methyl)ethyl ester, (+-)-, 1,3-bis(hexadecanoylamino)propan-2-yl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate, 1,3-DIHEXADECANAMIDOPROPAN-2-YL 2-{2-[(ACETYLSULFANYL)METHYL]-3-PHENYLPROPANAMIDO}ACETATE, 2-[[3-(Acetylthio)-2-benzylpropionyl]amino]acetic acid [1,3-bis(hexadecanoylamino)propan-2-yl] ester, N,N'-{2-[(N-{2-[(Acetylsulfanyl)methyl]-1-hydroxy-3-phenylpropylidene}glycyl)oxy]propane-1,3-diyl}dihexadecanimidic acid
| Molecular Formula | C49H85N3O6S |
| Molecular Weight | 843.6159 g/mol |
| XLogP | 15.2 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 42 |
| Exact Mass | 843.6159 Da |
| Heavy Atoms | 59 |
| Complexity | 1020.0 |
| SMILES | CCCCCCCCCCCCCCCC(=O)NCC(CNC(=O)CCCCCCCCCCCCCCC)OC(=O)CNC(=O)C(CC1=CC=CC=C1)CSC(=O)C |
| InChIKey | BKSYPOALQBMFGS-UHFFFAOYSA-N |
The XLogP value of 15.2 indicates that Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((1-oxohexadecyl)amino)-1-(((1-oxohexadecyl)amino)methyl)ethyl ester, (+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((1-oxohexadecyl)amino)-1-(((1-oxohexadecyl)amino)methyl)ethyl ester, (+-)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((1-oxohexadecyl)amino)-1-(((1-oxohexadecyl)amino)methyl)ethyl ester, (+-)- has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((1-oxohexadecyl)amino)-1-(((1-oxohexadecyl)amino)methyl)ethyl ester, (+-)- is 147879-82-1.
The molecular formula of Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((1-oxohexadecyl)amino)-1-(((1-oxohexadecyl)amino)methyl)ethyl ester, (+-)- is C49H85N3O6S.
The molecular weight of Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((1-oxohexadecyl)amino)-1-(((1-oxohexadecyl)amino)methyl)ethyl ester, (+-)- is 843.6159 g/mol.
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